ZnI2
Zinc iodide · Zinc(II) iodide
Zinc iodide is a stable, semiconducting inorganic salt widely utilized in chemical research and medical diagnostic procedures.
About Zinc iodide
Zinc iodide is a thermodynamically stable compound that functions as a semiconductor. Its structural versatility is evidenced by a wide range of reported configurations, reflecting its ability to adopt various arrangements under different conditions.
This compound is valued for its unique chemical properties, which facilitate its use in specialized laboratory synthesis and diagnostic applications. Its stability and electronic character make it a reliable material for researchers investigating metal halide systems.
Key Properties
Cross-validated computational properties for Zinc iodide, aggregated across 3 databases.
Band GapEnergy needed to move an electron from the valence band to the conduction band. Lower or zero values tend to behave more metallic; larger gaps are more insulating or semiconducting.
Energy Above HullThermodynamic distance from the most stable set of competing phases. 0 eV/atom is on the convex hull; small positive values may still be experimentally accessible.
StabilityA plain-language summary of the best reported energy-above-hull result. It reflects whether the lowest-energy structure is on, near, or far from the stability hull.
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of ZnI2. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for ZnI2, ranked by energy above hull.
| Space GroupSymmetry classification of the crystal arrangement. The number is the international space-group index. | Crystal SystemBroad lattice family, such as cubic, tetragonal, monoclinic, or triclinic, derived from unit-cell symmetry. | Band Gap (eV)Electronic gap calculated for this specific reported structure, measured in electronvolts. | E above hull (eV/atom)Thermodynamic distance from the convex hull for this structure, normalized per atom. Lower is generally more stable. | E/atom (eV)Computed total energy normalized per atom. Use energy above hull, not this value alone, when comparing stability. | Density (g/cm³)Mass per relaxed crystal volume, reported in grams per cubic centimeter. |
|---|---|---|---|---|---|
| — | — | 3.02 | 0.0000 | -0.717 | — |
| I41/acd (No. 142) | tetragonal | 2.91 | 0.0000 | -2.308 | 4.38 |
| R-3m (No. 166) | trigonal | 1.69 | 0.0000 | -0.490 | — |
| — | — | 2.87 | 0.0032 | -0.713 | — |
| — | — | 2.35 | 0.0041 | -0.712 | — |
| — | — | 0.00 | 0.0043 | -0.712 | — |
| — | — | 2.28 | 0.0072 | -0.709 | — |
| — | — | 2.93 | 0.0074 | -0.709 | — |
| — | — | 0.00 | 0.1057 | -0.611 | — |
| — | — | 0.00 | 0.1158 | -0.317 | — |
| — | — | 2.16 | 0.1170 | -0.600 | — |
| — | — | 2.08 | 0.1230 | -0.594 | — |
Applications
Where Zinc iodide is used.
Frequently Asked Questions
Common questions about Zinc iodide, answered from cross-validated data.
What is ZnI2?
Zinc iodide is a stable, semiconducting inorganic salt widely utilized in chemical research and medical diagnostic procedures.
What is ZnI2 used for?
What is the band gap of ZnI2?
Is ZnI2 a metal, semiconductor, or insulator?
Is ZnI2 thermodynamically stable?
What is the crystal structure of ZnI2?
How many polymorphs of ZnI2 are known?
What elements does ZnI2 contain?
Where does the data for ZnI2 come from?
How It Compares
As a standalone inorganic halide, zinc iodide serves as a foundational example of metal-iodide bonding behavior. It provides a key reference point for understanding the structural and electronic trends within the broader family of zinc-based semiconductors.
Data sources & attribution
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
Analyze ZnI2 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 85 source databases.
Explore the Platform →